3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine

C14H24N2 — CID 79093296

IUPAC3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCNC(Cc1cc(C)cc(C)c1)CN(C)C
InChIInChI=1S/C14H24N2/c1-11-6-12(2)8-13(7-11)9-14(15-3)10-16(4)5/h6-8,14-15H,9-10H2,1-5H3
InChIKeyPPSWVZLBRSJKID-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.00
Rot. Bonds5

About 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine

3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine (PubChem CID 79093296) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
PubChem CID79093296
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCNC(Cc1cc(C)cc(C)c1)CN(C)C
InChIInChI=1S/C14H24N2/c1-11-6-12(2)8-13(7-11)9-14(15-3)10-16(4)5/h6-8,14-15H,9-10H2,1-5H3
InChIKeyPPSWVZLBRSJKID-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089402
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62552074
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168260
2-hydrazinyl-N,N-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 105244842
1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475554
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79092426
ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine
CID 164903776
[1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205945
1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine
CID 115800285
1-(2-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66140357

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine (CID 79093296) is 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine is CNC(Cc1cc(C)cc(C)c1)CN(C)C.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The InChIKey is PPSWVZLBRSJKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-6-12(2)8-13(7-11)9-14(15-3)10-16(4)5/h6-8,14-15H,9-10H2,1-5H3.
What are the key properties of 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine is sourced from PubChem (CID 79093296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).